8-(3-methoxyphenoxymethyl)-7-[(3-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 195058
• Molecular Formular: C31H26O6
• Molecular Mass: 494.53454
• Monoisotopic Mass: 494.17293855
• SMILES: c12c(COc3cc(OC)ccc3)c(OCc3cc(OC)ccc3)ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: COc1cccc(c1)OCc1c(OCc2cccc(c2)OC)ccc2c1oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C31H26O6/c1-33-23-11-6-8-21(16-23)19-36-29-15-14-26-27(22-9-4-3-5-10-22)18-30(32)37-31(26)28(29)20-35-25-13-7-12-24(17-25)34-2/h3-18H,19-20H2,1-2H3
• InChIKey: BEBPDGMDEJLWBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-methoxyphenoxymethyl)-7-[(3-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 8-(3-methoxyphenoxymethyl)-7-[(3-methoxyphenyl)methoxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164250968
• PubChem CID: 1798648

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.0348196
• LogD (pH = 7.4): 6.0348196
• Log P: 6.0348196
• Molar Refractivity: 150.1793 cm^3
• Polarizability: 54.53318 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds